[(3S,4S,5R,6R)-4,5-diacetyloxy-5-indol-1-yl-6-phenoxy-thian-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-5-indol-1-yl-6-phenoxy-thian-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-4,5-diacetoxy-5-indol-1-yl-6-phenoxy-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetyloxy-5-(1-indolyl)-6-phenoxy-3-thianyl] ester IUPAC Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-5-indol-1-yl-6-phenoxythian-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetoxy-5-indol-1-yl-6-phenoxy-tetrahydrothiopyran-3-yl] ester Formula: C25H25NO7S MolecularWeight: 483.5335

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)(N2C=CC3=CC=CC=C32)OC(=O)C)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)O[C@@H]1CS[C@H]([C@]([C@H]1OC(=O)C)(N2C=CC3=CC=CC=C32)OC(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C25H25NO7S/c1-16(27)30-22-15-34-24(32-20-10-5-4-6-11-20)25(33-18(3)29,23(22)31-17(2)28)26-14-13-19-9-7-8-12-21(19)26/h4-14,22-24H,15H2,1-3H3/t22-,23+,24-,25-/m1/s1